On Feb 6, 2009, at 1:55 PM, David van der Spoel wrote:
Joshua Ballanco wrote:
Hello all,
Apologies if this is obvious, but I've been reading through the
manual and various Google searches and come up empty-handed. My
question is if it is possible to construct an infinite polymer
chain in Gromacs? That is, I'd like to setup a cell with PBC, but
have one end of my molecule bound to its replica across the
boundary. As far as I can tell, adding extra bond records to the
topology always turns my polymer into a loop in one cell.
use the mdp option periodic_molecules = yes
So it was something obvious I had overlooked... thanks!
- Josh
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
